The exploration of catalysts for energy conversion lies at the center of sustainable
development. The combination of experimental and computational approaches can provide …

Conspectus Organic semiconductors (OSs) are an exciting class of materials that have
enabled disruptive technologies in this century including large-area electronics, flexible …

Identifying two-dimensional layered materials in the monolayer limit has led to discoveries of
numerous new phenomena and unusual properties. We introduced elemental silicon during …

Stable photocatalysts with excellent optical adsorption and low reaction barrier are the key
for the water splitting. Here, we find that a two-dimensional Janus WSSe monolayer …

We report and discuss the results of a detailed first-principles calculations of the structural,
elastic, electronic, optical and thermoelectric properties of the new Zintl phase dibarium zinc …

For realizing efficient solar to hydrogen energy conversion based on photocatalytic
technology, it is important to explore a photocatalyst with wide-range solar absorption and …

Silicene, a silicon analogue of graphene, has attracted increasing attention during the past
few years. As early as in 1994, the possibility of stage corrugation in the Si analogs of …

Recently, two-dimensional Janus materials have attracted increasing research interest due
to their particular structure and great potential in electronics, optoelectronics and …

Two-dimensional crystals are emerging materials for nanoelectronics. Development of the
field requires candidate systems with both a high carrier mobility and, in contrast to …

Hydrogen from direct splitting of water molecules using photons is reckoned to be a
sustainable and renewable energy solution for the post fossil-fuel era. Efficient …